In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 26 | No |
Popular Name: 2-allylsulfanyl-N-[6-(4-phenylpiperazin-1-yl)-3-pyridyl]acetamide 2-allylsulfanyl-N-[6-(4-phenylpi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.25 | 10.03 | -12.51 | 1 | 5 | 0 | 48 | 368.506 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 10.37 | -40.14 | 2 | 5 | 1 | 50 | 369.514 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.